SCHEMBL409487

SCHEMBL409487

Cn1nc(-c2ccccc2)c2c(=O)[nH]cnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
PRKDC P78527 2/20 0.51
SRC P12931 1/20 0.51
MAPT P10636 7/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
PARP1 P09874 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
GAA P10253 2/20 0.46
NUDT14 O95848 1/20 0.46
NUDT5 Q9UKK9 1/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13781398 0.84 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14074051 0.82 MTOR (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11274435 0.77 XDH (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5237936 0.75 POLB (0.54) MAPTHTTPARP1KDM4EKMT2A
SCHEMBL15265113 0.75 SRC (0.68) SRCMAPTLMNAHTTKDM4E
SCHEMBL17292789 0.74 DAPK3 (0.54) PIK3CDSRCMAPTLMNAHTT
SCHEMBL409367 0.73 PIK3CD (0.82) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5234610 0.72 PARP1 (0.50) MAPTPARP1KDM4EKMT2AHSD17B10
SCHEMBL5232552 0.71 HTT (0.53) MAPTLMNAHTTPARP1KDM4E
SCHEMBL12844979 0.71 ALDH1A1 (0.45) PIK3CDSRCMAPTLMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 US disclosed
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 US disclosed
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 US disclosed
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CA 1473/4885PIK3CB 1902/4885
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CA 1473/4885PIK3CB 1902/4885
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CA 1473/4885PIK3CB 1902/4885
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CA 1473/4885PIK3CB 1902/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.